ethyl 2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]acetate

• ChemBase ID: 806338
• Molecular Formular: C8H14N2O3
• Molecular Mass: 186.20836
• Monoisotopic Mass: 186.10044232
• SMILES: C(C(=O)OCC)N1C(=O)C[C@H](C1)N
• Canonical SMILES: CCOC(=O)CN1C[C@@H](CC1=O)N
• InChI: InChI=1S/C8H14N2O3/c1-2-13-8(12)5-10-4-6(9)3-7(10)11/h6H,2-5,9H2,1H3/t6-/m1/s1
• InChIKey: SSWPFTITNPAJGQ-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]acetate
• IUPAC Traditional name: ethyl 2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]acetate
• Synonyms: (R)-(4-AMINO-2-OXO-PYRROLIDIN-1-YL)-ACETIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2867146
• LogD (pH = 7.4): -2.9262013
• Log P: -1.4011259
• Molar Refractivity: 45.6219 cm^3
• Polarizability: 18.306417 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%